Match Hartree energy
Commits >
Commit 3c86545dbb6a164adc7b03c9886fea0d0acfc59e >
Run GCI_foss_mpi_min_autotools: [foss2022a-mpi] >
Input 31-acetylene_b3lyp.01-gs.inp
| Value | Reference | Precision | Status |
| 2.266259840000000e+01 | 2.266259827000000e+01 | 1.430000000000000e-07 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)